5-(2-methyl-1,4-dioxan-2-yl)pentane-1,4-diamine

C10H22N2O2 — CID 174925244

IUPAC5-(2-methyl-1,4-dioxan-2-yl)pentane-1,4-diamine
SMILESCC1(CC(N)CCCN)COCCO1
InChIInChI=1S/C10H22N2O2/c1-10(8-13-5-6-14-10)7-9(12)3-2-4-11/h9H,2-8,11-12H2,1H3
InChIKeyFPUWUKVQGSMKFN-UHFFFAOYSA-N
MW202.30 g/mol
LogP0.25
Rot. Bonds5

About 5-(2-methyl-1,4-dioxan-2-yl)pentane-1,4-diamine

5-(2-methyl-1,4-dioxan-2-yl)pentane-1,4-diamine (PubChem CID 174925244) has the molecular formula C10H22N2O2 and a molecular weight of 202.30 g/mol. Its IUPAC name is 5-(2-methyl-1,4-dioxan-2-yl)pentane-1,4-diamine.

Molecular Properties

Compound Name5-(2-methyl-1,4-dioxan-2-yl)pentane-1,4-diamine
PubChem CID174925244
Molecular FormulaC10H22N2O2
Molecular Weight202.30 g/mol
Exact Mass202.17
IUPAC Name5-(2-methyl-1,4-dioxan-2-yl)pentane-1,4-diamine
SMILESCC1(CC(N)CCCN)COCCO1
InChIInChI=1S/C10H22N2O2/c1-10(8-13-5-6-14-10)7-9(12)3-2-4-11/h9H,2-8,11-12H2,1H3
InChIKeyFPUWUKVQGSMKFN-UHFFFAOYSA-N
XLogP0.25
TPSA70.50 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500202.30
LogP ≤ 50.25
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 5-(2-methyl-1,4-dioxan-2-yl)pentane-1,4-diamine?
The IUPAC name of 5-(2-methyl-1,4-dioxan-2-yl)pentane-1,4-diamine (CID 174925244) is 5-(2-methyl-1,4-dioxan-2-yl)pentane-1,4-diamine.
What is the SMILES notation for 5-(2-methyl-1,4-dioxan-2-yl)pentane-1,4-diamine?
The canonical SMILES for 5-(2-methyl-1,4-dioxan-2-yl)pentane-1,4-diamine is CC1(CC(N)CCCN)COCCO1.
What is the InChIKey of 5-(2-methyl-1,4-dioxan-2-yl)pentane-1,4-diamine?
The InChIKey is FPUWUKVQGSMKFN-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H22N2O2/c1-10(8-13-5-6-14-10)7-9(12)3-2-4-11/h9H,2-8,11-12H2,1H3.
What are the key properties of 5-(2-methyl-1,4-dioxan-2-yl)pentane-1,4-diamine?
5-(2-methyl-1,4-dioxan-2-yl)pentane-1,4-diamine has a molecular weight of 202.30 g/mol, XLogP of 0.25, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(2-methyl-1,4-dioxan-2-yl)pentane-1,4-diamine is sourced from PubChem (CID 174925244), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).